SCHEMBL8306488

SCHEMBL8306488

C=CCOc1cc(-c2cc(=O)c3c(O)cc(OCc4ccccc4)cc3o2)ccc1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.64
ABCB1 P08183 2/20 0.64
CYP1B1 Q16678 3/20 0.58
CYP1A1 P04798 3/20 0.56
CYP1A2 P05177 3/20 0.56
ABCC1 P33527 2/20 0.56
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 1/20 0.56
POLB P06746 1/20 0.56
KMT2A Q03164 1/20 0.56
PPARG P37231 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
NPC1 O15118 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
TSHR P16473 1/20 0.53
CYP2C19 P33261 1/20 0.53
ABCG2 Q9UNQ0 1/20 0.53
KDM1A O60341 1/20 0.53
XDH P47989 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8304836 0.92 CYP1B1 (0.66) MAPTCYP1B1CYP1A1CYP1A2ABCC1
SCHEMBL8429084 0.88 CYP1B1 (0.59) MAPTCYP1B1CYP1A1CYP1A2ABCC1
SCHEMBL8304767 0.88 CYP1B1 (0.76) MAPTABCB1CYP1B1CYP1A1CYP1A2
SCHEMBL7306849 0.87 MAPT (0.74) MAPTABCB1CYP1B1CYP1A1CYP1A2
SCHEMBL4575435 0.85 CYP1B1 (0.71) MAPTCYP1B1CYP1A1CYP1A2ABCC1
SCHEMBL7318625 0.84 CYP1B1 (0.56) MAPTCYP1B1CYP1A1CYP1A2ABCC1
SCHEMBL1976256 0.84 MAPT (0.67) MAPTABCB1CYP1B1CYP1A1CYP1A2
SCHEMBL8304325 0.84 CYP1B1 (0.54) MAPTCYP1B1CYP1A1CYP1A2ABCC1
SCHEMBL8066758 0.84 L3MBTL1 (0.72) MAPTABCB1CYP1B1CYP1A1CYP1A2
SCHEMBL8429585 0.83 CYP1B1 (0.56) MAPTCYP1B1CYP1A1CYP1A2ABCC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0709383-B1 Diosmetin derivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1999-12-15 EP disclosed
US-5629339-A CHRONIC VENOUS INSUFFICIENCY ADIR ET COMPAGNIE (FR) 1997-05-13 US disclosed
EP-0709383-A1 Diosmetin derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-05-01 EP disclosed